N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

C21H17BrFN3OS — CID 30940218

IUPACN-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C21H17BrFN3OS/c1-13-10-14(22)6-8-18(13)24-20(27)9-7-15-12-28-21-25-19(11-26(15)21)16-4-2-3-5-17(16)23/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyRYMUKZRDQSZBOT-UHFFFAOYSA-N
MW458.36 g/mol
LogP5.84
Rot. Bonds5

About N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide

N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (PubChem CID 30940218) has the molecular formula C21H17BrFN3OS and a molecular weight of 458.36 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
PubChem CID30940218
Molecular FormulaC21H17BrFN3OS
Molecular Weight458.36 g/mol
Exact Mass457.03
IUPAC NameN-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
SMILESCc1cc(Br)ccc1NC(=O)CCc1csc2nc(-c3ccccc3F)cn12
InChIInChI=1S/C21H17BrFN3OS/c1-13-10-14(22)6-8-18(13)24-20(27)9-7-15-12-28-21-25-19(11-26(15)21)16-4-2-3-5-17(16)23/h2-6,8,10-12H,7,9H2,1H3,(H,24,27)
InChIKeyRYMUKZRDQSZBOT-UHFFFAOYSA-N
XLogP5.84
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.36
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940220
N-(2,5-dimethoxyphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940030
3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-propylpropanamide
CID 30940092
N-butyl-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940095
N-[2-(4-fluorophenyl)ethyl]-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940055
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30940041
N-(4-bromo-3-methylphenyl)-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939364
N-naphthalen-1-yl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 30939336
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(3-methylphenyl)propanamide
CID 30939826
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-(3-chloro-2-methylphenyl)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide
CID 30939637
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide (CID 30940218) is N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is Cc1cc(Br)ccc1NC(=O)CCc1csc2nc(-c3ccccc3F)cn12.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
The InChIKey is RYMUKZRDQSZBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3OS/c1-13-10-14(22)6-8-18(13)24-20(27)9-7-15-12-28-21-25-19(11-26(15)21)16-4-2-3-5-17(16)23/h2-6,8,10-12H,7,9H2,1H3,(H,24,27).
What are the key properties of N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide?
N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide has a molecular weight of 458.36 g/mol, XLogP of 5.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-3-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanamide is sourced from PubChem (CID 30940218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).